N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine

C65H38N2O2 — CID 146333021

IUPACN-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine
SMILESc1ccc(-n2c3cc(N(c4ccc5oc6ccc7ccccc7c6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc3c3c4oc5ccccc5c4ccc32)cc1
InChIInChI=1S/C65H38N2O2/c1-2-16-40(17-3-1)67-56-34-33-47-46-21-9-13-28-58(46)69-64(47)63(56)49-32-30-42(38-57(49)67)66(41-31-36-59-50(37-41)61-43-18-5-4-15-39(43)29-35-60(61)68-59)55-27-14-26-54-62(55)48-22-8-12-25-53(48)65(54)51-23-10-6-19-44(51)45-20-7-11-24-52(45)65/h1-38H
InChIKeyYGYWCQLJNNWUGL-UHFFFAOYSA-N
MW879.03 g/mol
LogP17.55
Rot. Bonds4

About N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine

N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine (PubChem CID 146333021) has the molecular formula C65H38N2O2 and a molecular weight of 879.03 g/mol. Its IUPAC name is N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine.

Molecular Properties

Compound NameN-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine
PubChem CID146333021
Molecular FormulaC65H38N2O2
Molecular Weight879.03 g/mol
Exact Mass878.29
IUPAC NameN-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine
SMILESc1ccc(-n2c3cc(N(c4ccc5oc6ccc7ccccc7c6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc3c3c4oc5ccccc5c4ccc32)cc1
InChIInChI=1S/C65H38N2O2/c1-2-16-40(17-3-1)67-56-34-33-47-46-21-9-13-28-58(46)69-64(47)63(56)49-32-30-42(38-57(49)67)66(41-31-36-59-50(37-41)61-43-18-5-4-15-39(43)29-35-60(61)68-59)55-27-14-26-54-62(55)48-22-8-12-25-53(48)65(54)51-23-10-6-19-44(51)45-20-7-11-24-52(45)65/h1-38H
InChIKeyYGYWCQLJNNWUGL-UHFFFAOYSA-N
XLogP17.55
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.03
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine
CID 146332893
N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 168781594
N-dibenzofuran-2-yl-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[3,2-a]carbazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[3,2-a]carbazol-9-amine;5-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[3,2-c]carbazol-2-amine
CID 159897367
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277095
N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine
CID 146333003
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylphenyl)carbazol-3-amine
CID 161326780
3-N-dibenzofuran-4-yl-1-N-phenyl-1-N-(4-phenylphenyl)-3-N-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine
CID 167118056
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-dinaphthalen-2-yl-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163652671
3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838063
N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine
CID 146333018
N-dibenzofuran-2-yl-N-(9,9-diphenylfluoren-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229859

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine?
The IUPAC name of N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine (CID 146333021) is N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine.
What is the SMILES notation for N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine?
The canonical SMILES for N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine is c1ccc(-n2c3cc(N(c4ccc5oc6ccc7ccccc7c6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)ccc3c3c4oc5ccccc5c4ccc32)cc1.
What is the InChIKey of N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine?
The InChIKey is YGYWCQLJNNWUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N2O2/c1-2-16-40(17-3-1)67-56-34-33-47-46-21-9-13-28-58(46)69-64(47)63(56)49-32-30-42(38-57(49)67)66(41-31-36-59-50(37-41)61-43-18-5-4-15-39(43)29-35-60(61)68-59)55-27-14-26-54-62(55)48-22-8-12-25-53(48)65(54)51-23-10-6-19-44(51)45-20-7-11-24-52(45)65/h1-38H.
What are the key properties of N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine?
N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine has a molecular weight of 879.03 g/mol, XLogP of 17.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine is sourced from PubChem (CID 146333021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).